CID 214412

2-((cyclopropylamino)methyl)-4,5-diphenyloxazole monohydrochloride hemihydrate

Structural Information

Molecular Formula
C21H22N2O
SMILES
C1CCC(C1)NCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O/c1-3-9-16(10-4-1)20-21(17-11-5-2-6-12-17)24-19(23-20)15-22-18-13-7-8-14-18/h1-6,9-12,18,22H,7-8,13-15H2
InChIKey
ZFUVKFZGNDCBNK-UHFFFAOYSA-N
Compound name
N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]cyclopentanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

318.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.18050 174.0
[M+Na]+ 341.16244 179.0
[M-H]- 317.16594 185.8
[M+NH4]+ 336.20704 188.0
[M+K]+ 357.13638 174.5
[M+H-H2O]+ 301.17048 164.7
[M+HCOO]- 363.17142 196.5
[M+CH3COO]- 377.18707 184.9
[M+Na-2H]- 339.14789 175.1
[M]+ 318.17267 171.8
[M]- 318.17377 171.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe